U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N2O6S2
Molecular Weight 474.55
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TICARCILLIN CRESYL

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(=O)OC3=CC=C(C)C=C3)C4=CSC=C4)C(O)=O

InChI

InChIKey=DGNAUIYWRWICBR-OAFZBRQQSA-N
InChI=1S/C22H22N2O6S2/c1-11-4-6-13(7-5-11)30-21(29)14(12-8-9-31-10-12)17(25)23-15-18(26)24-16(20(27)28)22(2,3)32-19(15)24/h4-10,14-16,19H,1-3H3,(H,23,25)(H,27,28)/t14-,15-,16+,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22N2O6S2
Molecular Weight 474.55
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:02:41 UTC 2023
Edited
by admin
on Fri Dec 15 19:02:41 UTC 2023
Record UNII
569624Y431
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TICARCILLIN CRESYL
Common Name English
P-TOLYL (R)-N-((2S,5R,6R)-(2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-6-YL))-3-THIOPHENEMALONAMATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-((3-(4-METHYLPHENOXY)-1,3-DIOXO-2-(3-THIENYL)PROPYL)AMINO)-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Common Name English
Code System Code Type Description
FDA UNII
569624Y431
Created by admin on Fri Dec 15 19:02:42 UTC 2023 , Edited by admin on Fri Dec 15 19:02:42 UTC 2023
PRIMARY
PUBCHEM
9957474
Created by admin on Fri Dec 15 19:02:42 UTC 2023 , Edited by admin on Fri Dec 15 19:02:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID30207803
Created by admin on Fri Dec 15 19:02:42 UTC 2023 , Edited by admin on Fri Dec 15 19:02:42 UTC 2023
PRIMARY
CAS
59070-07-4
Created by admin on Fri Dec 15 19:02:42 UTC 2023 , Edited by admin on Fri Dec 15 19:02:42 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT